Geometry & MOs
Info
ID: |
165409 |
PubChem CID: |
74546792 |
Reduced: |
ON2C7H17 (1) |
Stoich.: |
AB2C7D17 (1) |
Weight, g/mol: |
423.205259 |
ΔHf, kcal/mol: |
-21.58 |
Dipole, Da: |
3.01 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.754102 |
Charge, e: |
0 |
Chem-info
IUPAC name:
N-(6-amino-1-butyl-2,4-dioxo-1,3-diazinan-5-yl)-N-cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide